
 CHEMBL326736

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.5161   -0.0090    0.2436 C   0  0  0  0  0
   -0.9199    1.0561   -0.4267 C   0  0  0  0  0
    0.4705    1.1112   -0.5585 C   0  0  0  0  0
    1.2815    0.1000   -0.0256 C   0  0  0  0  0
    0.6673   -0.9634    0.6523 C   0  0  0  0  0
   -0.7233   -1.0177    0.7850 C   0  0  0  0  0
    2.7323    0.1635   -0.1748 C   0  0  0  0  0
    3.6097    1.2240   -0.2749 C   0  0  0  0  0
    4.9033    0.7928   -0.4175 N   0  0  0  0  0
    4.8563   -0.5271   -0.4183 C   0  0  0  0  0
    3.5504   -0.9383   -0.2791 N   0  0  0  0  0
    6.0091   -1.4255   -0.5466 C   0  0  0  0  0
    7.2897   -0.8748   -0.6579 C   0  0  0  0  0
    8.3781   -1.7222   -0.7747 C   0  0  0  0  0
    8.2805   -3.0674   -0.7889 N   0  0  0  0  0
    7.0398   -3.5836   -0.6825 C   0  0  0  0  0
    5.8893   -2.8178   -0.5611 C   0  0  0  0  0
   -2.5972   -0.0503    0.3477 H   0  0  0  0  0
   -1.5358    1.8462   -0.8490 H   0  0  0  0  0
    0.9108    1.9491   -1.0939 H   0  0  0  0  0
    1.2593   -1.7529    1.1075 H   0  0  0  0  0
   -1.1862   -1.8443    1.3178 H   0  0  0  0  0
    3.3784    2.2810   -0.2426 H   0  0  0  0  0
    3.2356   -1.8951   -0.2750 H   0  0  0  0  0
    7.4369    0.2014   -0.6522 H   0  0  0  0  0
    9.3862   -1.3273   -0.8620 H   0  0  0  0  0
    6.9903   -4.6690   -0.6976 H   0  0  0  0  0
    4.9355   -3.3234   -0.4820 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL326736

>  <PubChem CID>
12250900

>  <Formula>
C14H11N3

>  <Molecular Weight>
221.263000

>  <IUPAC Name>
4-(5-phenyl-1H-imidazol-2-yl)pyridine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CN=C(N2)C3=CC=NC=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CN=C(N2)C3=CC=NC=C3

>  <InChI Std. ID>
InChI=1S/C14H11N3/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12/h1-10H,(H,16,17)

>  <InChI Key>
ALTJKNQLXJJFCN-UHFFFAOYSA-N

